SCHEMBL7608409

SCHEMBL7608409

C[S+]([O-])CCC(NC(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.38
▸ NAALAD2 Q9Y3Q0 4/20 0.38
▸ RIMKLA Q8IXN7 1/20 0.38
▸ ACE P12821 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.33
▸ GNPAT O15228 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1129578 0.87 SMN1; SMN2 (0.50) FOLH1NAALAD2RIMKLAACEKDM4E
SCHEMBL3792833 0.87 SMN1; SMN2 (0.50) FOLH1NAALAD2RIMKLAACEKDM4E
SCHEMBL22612669 0.87 SMN1; SMN2 (0.50) FOLH1NAALAD2RIMKLAACEKDM4E
SCHEMBL31167431 0.82 ACE (0.32) FOLH1NAALAD2RIMKLAACEKDM4E
SCHEMBL11100413 0.82 ACE (0.32) FOLH1NAALAD2RIMKLAACEKDM4E
SCHEMBL20388609 0.82 ACE (0.32) FOLH1NAALAD2RIMKLAACEKDM4E
SCHEMBL1129467 0.82 NOD1 (0.36) FOLH1NAALAD2RIMKLAACEKDM4E
SCHEMBL31675998 0.82 NOD1 (0.47) FOLH1NAALAD2RIMKLAACENOD1
SCHEMBL31112112 0.82 NOD1 (0.47) FOLH1NAALAD2RIMKLAACENOD1
Hydrochloric Acid SCHEMBL11097645 0.81 ACE (0.32) FOLH1NAALAD2RIMKLAACEKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 — — EP disclosed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 — — US disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 — — EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 — — US disclosed
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